7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one

C16H16N2O2 — CID 58255415

IUPAC7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1cc2c(cc1-c1cccnc1)CCC(=O)N2
InChIInChI=1S/C16H16N2O2/c1-2-20-15-9-14-11(5-6-16(19)18-14)8-13(15)12-4-3-7-17-10-12/h3-4,7-10H,2,5-6H2,1H3,(H,18,19)
InChIKeyNCGZXHMTBPRAIQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.03
Rot. Bonds3

About 7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one

7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 58255415) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID58255415
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1cc2c(cc1-c1cccnc1)CCC(=O)N2
InChIInChI=1S/C16H16N2O2/c1-2-20-15-9-14-11(5-6-16(19)18-14)8-13(15)12-4-3-7-17-10-12/h3-4,7-10H,2,5-6H2,1H3,(H,18,19)
InChIKeyNCGZXHMTBPRAIQ-UHFFFAOYSA-N
XLogP3.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one (CID 58255415) is 7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one is CCOc1cc2c(cc1-c1cccnc1)CCC(=O)N2.
What is the InChIKey of 7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NCGZXHMTBPRAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-20-15-9-14-11(5-6-16(19)18-14)8-13(15)12-4-3-7-17-10-12/h3-4,7-10H,2,5-6H2,1H3,(H,18,19).
What are the key properties of 7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 268.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 58255415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).